Information card for entry 2103130

Structure parameters

• Chemical name: 1,2-Bis-(4'-pyridyl)ethene‒(S)-malic acid (1/1)
• Formula: C16 H16 N2 O5
• Calculated formula: C16 H16 N2 O5
• Title of publication: Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines
• Authors of publication: Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 530 - 544
• a: 4.9325 ± 0.0003 Å
• b: 8.3343 ± 0.0004 Å
• c: 9.3502 ± 0.0007 Å
• α: 72.751 ± 0.002°
• β: 89.414 ± 0.002°
• γ: 80.207 ± 0.002°
• Cell volume: 361.41 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No